Linear and nonlinear optical properties of arylvinyldiazine dyes: A theoretical investigation

被引：39

作者：

Castet, Frederic ^{[1
]}

Pic, Alexandre ^{[1
]}

Champagne, Benoit ^{[2
]}

机构：

[1] Univ Bordeaux, Inst Mol Sci, CNRS, UMR 5255, F-33405 Talence, France

[2] Univ Namur, Chim Theor Lab, Unite Chim Phys Theor & Struct, B-5000 Namur, Belgium

来源：

DYES AND PIGMENTS | 2014年 / 110卷

关键词：

Arylvinyldiazines; Nonlinear optics; Quantum chemical calculations; Dipolar and octupolar contributions; Electron correlation effects; HRS and EFISH; 2ND-ORDER POLARIZABILITY; MOLECULES; DESIGN; LENGTH;

D O I：

10.1016/j.dyepig.2014.03.021

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

The linear and nonlinear optical properties of a series of arylvinyldiazine derivatives are investigated by means of quantum chemical first principles calculations. The UV/vis absorption spectra of the various derivatives, as well as the NLO properties previously characterized by means of EFISHG measurements, are well reproduced by the theoretical computations. The reported results provide complementary insights on the structure properties relationships linking the nature of the chemical substituents and of the conjugated pi-electron system that constitute the push pull structure to the amplitude of the NLO responses. (C) 2014 Elsevier Ltd. All rights reserved.

引用

页码：256 / 260

页数：5

共 39 条

[1] Luminescent materials incorporating pyrazine or quinoxaline moieties [J].

Achelle, Sylvain ;

Baudequin, Christine ;

Ple, Nelly .

DYES AND PIGMENTS, 2013, 98 (03) :575-600

[2] Synthesis and Photophysical Investigation of a Series of Push-Pull Arylvinyldiazine Chromophores [J].

Achelle, Sylvain ;

Barsella, Alberto ;

Baudequin, Christine ;

Caro, Bertrand ;

Guen, Francoise Robin-le .

JOURNAL OF ORGANIC CHEMISTRY, 2012, 77 (08) :4087-4096

[3] Pyrimidine Ring as Building Block for the Synthesis of Functionalized II-Conjugated Materials [J].

Achelle, Sylvain ;

Ple, Nelly .

CURRENT ORGANIC SYNTHESIS, 2012, 9 (02) :163-187

[4] Incorporation of pyridazine rings in the structure of functionalized π-conjugated materials [J].

Achelle, Sylvain ;

Ple, Nelly ;

Turck, Alain .

RSC ADVANCES, 2011, 1 (03) :364-388

[5]

[Anonymous], 2012, NONLINEAR OPTICS PHE

[6]

[Anonymous], HDB ADV ELECT PHOTON

[7]

[Anonymous], 2006, Non-linear optical properties of matter

[8] Switching of molecular second-order polarisability in solution [J].

Asselberghs, I ;

Clays, K ;

Persoons, A ;

Ward, MD ;

McCleverty, J .

JOURNAL OF MATERIALS CHEMISTRY, 2004, 14 (19) :2831-2839

[9] Proton-triggered octopolar NLO chromophores [J].

Asselberghs, Inge ;

Hennrich, Gunther ;

Clays, Koen .

JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (19) :6271-6275

[10] Theoretical and experimental investigation of electric field induced second harmonic generation in tetrathia[7]helicenes [J].

Bossi, Alberto ;

Licandro, Emanuela ;

Maiorana, Stefano ;

Rigamonti, Clara ;

Righetto, Stefania ;

Stephenson, G. Richard ;

Spassova, Milena ;

Botek, Edith ;

Champagne, Benoit .

JOURNAL OF PHYSICAL CHEMISTRY C, 2008, 112 (21) :7900-7907

← 1 2 3 4 →